N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide

C16H17N3O2 — CID 135479388

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)N/N=C/c2ccccc2O)c1
InChIInChI=1S/C16H17N3O2/c1-12-5-4-7-14(9-12)17-11-16(21)19-18-10-13-6-2-3-8-15(13)20/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10+
InChIKeyIMZSSIBJVGMNDE-VCHYOVAHSA-N
MW283.33 g/mol
LogP2.26
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide (PubChem CID 135479388) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
PubChem CID135479388
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)N/N=C/c2ccccc2O)c1
InChIInChI=1S/C16H17N3O2/c1-12-5-4-7-14(9-12)17-11-16(21)19-18-10-13-6-2-3-8-15(13)20/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10+
InChIKeyIMZSSIBJVGMNDE-VCHYOVAHSA-N
XLogP2.26
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
4-[(2-hydroxybenzyl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 3595244
N-[(1E)-2-(2-hydroxyphenyl)-1-azaprop-1-enyl]-2-[(methylsulfonyl)phenylamino]a cetamide
CID 135519931
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972
1,2-Dihydro-4-(((2-hydroxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 207856
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420009
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide (CID 135479388) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)N/N=C/c2ccccc2O)c1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The InChIKey is IMZSSIBJVGMNDE-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-5-4-7-14(9-12)17-11-16(21)19-18-10-13-6-2-3-8-15(13)20/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 135479388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).